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arXiv:2002.00792 · Scientific Reports

Generative and discriminative training of Boltzmann machine through quantum annealing

Siddhartha Srivastava, Veera Sundararaghavan

Published May 16, 2023• 5 citations
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Abstract

A hybrid quantum-classical method for learning Boltzmann machines (BM) for a generative and discriminative task is presented. BM are undirected graphs with a network of visible and hidden nodes where the former is used as the reading site. In contrast, the latter is used to manipulate visible states' probability. In Generative BM, the samples of visible data imitate the probability distribution of a given data set. In contrast, the visible sites of discriminative BM are treated as Input/Output (I/O) reading sites where the conditional probability of output state is optimized for a given set of input states. The cost function for learning BM is defined as a weighted sum of Kullback-Leibler (KL) divergence and Negative conditional Log-likelihood (NCLL), adjusted using a hyper-parameter. Here, the KL Divergence is the cost for generative learning, and NCLL is the cost for discriminative learning. A Stochastic Newton-Raphson optimization scheme is presented. The gradients and the Hessians are approximated using direct samples of BM obtained through quantum annealing. Quantum annealers are hardware representing the physics of the Ising model that operates on low but finite temperatures. This temperature affects the probability distribution of the BM; however, its value is unknown. Previous efforts have focused on estimating this unknown temperature through regression of theoretical Boltzmann energies of sampled states with the probability of states sampled by the actual hardware. These approaches assume that the control parameter change does not affect the system temperature; however, this is usually untrue. Instead of using energies, the probability distribution of samples is employed to estimate the optimal parameter set, ensuring that the optimal set can be obtained from a single set of samples. The KL divergence and NCLL are optimized for the system temperature, and the result is used to rescale the control parameter set. The performance of this approach, as tested against the theoretically expected distributions, shows promising results for Boltzmann training on quantum annealers.

DOI
10.1038/s41598-023-34652-4

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A hybrid quantum-classical method for learning Boltzmann machines (BM) for a generative and discriminative task is presented. BM are undirected graphs with a network of visible and hidden nodes where the former is used as the reading site. In contrast, the latter is used to manipulate visible states' probability. In Generative BM, the samples of visible data imitate the probability distribution of a given data set. In contrast, the visible sites of discriminative BM are treated as Input/Output (I/O) reading sites where the conditional probability of output state is optimized for a given set of input states. The cost function for learning BM is defined as a weighted sum of Kullback-Leibler (KL) divergence and Negative conditional Log-likelihood (NCLL), adjusted using a hyper-parameter. Here, the KL Divergence is the cost for generative learning, and NCLL is the cost for discriminative learning. A Stochastic Newton-Raphson optimization scheme is presented. The gradients and the Hessians are approximated using direct samples of BM obtained through quantum annealing. Quantum annealers are hardware representing the physics of the Ising model that operates on low but finite temperatures. This temperature affects the probability distribution of the BM; however, its value is unknown. Previous efforts have focused on estimating this unknown temperature through regression of theoretical Boltzmann energies of sampled states with the probability of states sampled by the actual hardware. These approaches assume that the control parameter change does not affect the system temperature; however, this is usually untrue. Instead of using energies, the probability distribution of samples is employed to estimate the optimal parameter set, ensuring that the optimal set can be obtained from a single set of samples. The KL divergence and NCLL are optimized for the system temperature, and the result is used to rescale the control parameter set. The performance of this approach, as tested against the theoretically expected distributions, shows promising results for Boltzmann training on quantum annealers.
We present a Hybrid-Quantum-classical method for learning Boltzmann machines (BM) for generative and discriminative tasks. Boltzmann machines are undirected graphs that form the building block of many learning architectures such as Restricted Boltzmann machines (RBM's) and Deep Boltzmann machines (DBM's). They have a network of visible and hidden nodes where the former are used as the reading sites while the latter are used to manipulate the probability of the visible states. BM's are versatile machines that can be used for both learning distributions as a generative task as well as for performing classification or function approximation as a discriminative task. We show that minimizing KL-divergence works best for training BM for applications of function approximation. In our approach, we use Quantum annealers for sampling Boltzmann states. These states are used to approximate gradients in a stochastic gradient descent scheme. The approach is used to demonstrate logic circuits in the discriminative sense and a specialized two-phase distribution using generative BM.
Quantum annealing (QA) is a hardware-based heuristic optimization and sampling method applicable to discrete undirected graphical models. While similar to simulated annealing, QA relies on quantum, rather than thermal, effects to explore complex search spaces. For many classes of problems, QA is known to offer computational advantages over simulated annealing. Here we report on the ability of recent QA hardware to accelerate training of fully visible Boltzmann machines. We characterize the sampling distribution of QA hardware, and show that in many cases, the quantum distributions differ significantly from classical Boltzmann distributions. In spite of this difference, training (which seeks to match data and model statistics) using standard classical gradient updates is still effective. We investigate the use of QA for seeding Markov chains as an alternative to contrastive divergence (CD) and persistent contrastive divergence (PCD). Using k=50k=50k=50 Gibbs steps, we show that for problems with high-energy barriers between modes, QA-based seeds can improve upon chains with CD and PCD initializations. For these hard problems, QA gradient estimates are more accurate, and allow for faster learning. Furthermore, and interestingly, even the case of raw QA samples (that is, k=0k=0k=0) achieved similar improvements. We argue that this relates to the fact that we are training a quantum rather than classical Boltzmann distribution in this case. The learned parameters give rise to hardware QA distributions closely approximating classical Boltzmann distributions that are hard to train with CD/PCD.
Restricted Boltzmann Machine (RBM) is an energy-based, undirected graphical model. It is commonly used for unsupervised and supervised machine learning. Typically, RBM is trained using contrastive divergence (CD). However, training with CD is slow and does not estimate the exact gradient of the log-likelihood cost function. In this work, the model expectation of gradient learning for RBM has been calculated using a quantum annealer (D-Wave 2000Q), where obtaining samples is faster than Markov chain Monte Carlo (MCMC) used in CD. Training and classification results of RBM trained using quantum annealing are compared with the CD-based method. The performance of the two approaches is compared with respect to the classification accuracies, image reconstruction, and log-likelihood results. The classification accuracy results indicate comparable performances of the two methods. Image reconstruction and log-likelihood results show improved performance of the CD-based method. It is shown that the samples obtained from quantum annealer can be used to train an RBM on a 64-bit “bars and stripes” dataset with classification performance similar to an RBM trained with CD. Though training based on CD showed improved learning performance, training using a quantum annealer could be useful as it eliminates computationally expensive MCMC steps of CD.
We investigate the quantum effect on machine learning (ML) models exemplified by the Generative Adversarial Network (GAN), which is a promising deep learning framework. In the general GAN framework the generator maps uniform noise to a fake image. In this study, we utilize the Associative Adversarial Network (AAN), which consists of a standard GAN and an associative memory. Further, we set a Boltzmann Machine (BM), which is an undirected graphical model that learns low-dimensional features extracted from a discriminator, as the memory. Owing to difficulty calculating the BM's log-likelihood gradient, it is necessary to approximate it by using the sample mean obtained from the BM, which has tentative parameters. To calculate the sample mean, a Markov Chain Monte Carlo (MCMC) is often used. In a previous study, this was performed using a quantum annealer device, and the performance of the "Quantum" AAN was compared to that of the standard GAN. However, its better performance than the standard GAN is not well understood. In this study, we introduce two methods to draw samples: classical sampling via MCMC and quantum sampling via quantum Monte Carlo (QMC) simulation, which is quantum simulation on the classical computer. Then, we compare these methods to investigate whether quantum sampling is advantageous. Specifically, calculating the discriminator loss, the generator loss, inception score and Fréchet inception distance, we discuss the possibility of AAN. We show that the AANs trained by both MCMC and QMC are more stable during training and produce more varied images than the standard GANs. However, the results indicate no difference in sampling by QMC simulation compared to that by MCMC.
Energy-based models provide a natural bridge between statistical physics and machine learning by representing data through structured energy landscapes. Boltzmann machines are a particularly compelling class of such models for capturing complex interactions among latent variables, but their use in modern generative learning has been limited by the classical intractability of sampling from general (non-restricted) Boltzmann distributions. Here we develop a quantum-annealing-based framework that enables variational autoencoders with general Boltzmann priors. The framework employs three complementary annealing modes tailored to different stages of learning and deployment: diabatic quantum annealing provides unbiased Boltzmann samples for efficient training, slower annealing concentrates samples near low-energy configurations of the learned prior for unconditional generation, and conditional annealing with external fields steers the learned energy landscape toward attribute-specific regions for conditional generation and semantic editing. Using up to 2000 qubits on a D-Wave Advantage2 processor, we demonstrate stable training and high-quality generation on MNIST, Fashion-MNIST, and CelebA, achieving faster convergence and lower reconstruction loss than a Gaussian-prior VAE with the same encoder-decoder architecture. Beyond generation, the learned energy function provides out-of-distribution detection signals that add discriminative power beyond reconstruction loss. We demonstrate that these scores separate in-distribution samples from held-out digit classes in one-class MNIST experiments and improve the detection of market regime shifts in financial data. These results establish quantum annealing as a practical and controllable physical mechanism for energy-based representation learning and generative modeling beyond the reach of tractable classical approaches.
In Deep Learning, a well-known approach for training a Deep Neural Network starts by training a generative Deep Belief Network model, typically using Contrastive Divergence (CD), then fine-tuning the weights using backpropagation or other discriminative techniques. However, the generative training can be time-consuming due to the slow mixing of Gibbs sampling. We investigated an alternative approach that estimates model expectations of Restricted Boltzmann Machines using samples from a D-Wave quantum annealing machine. We tested this method on a coarse-grained version of the MNIST data set. In our tests we found that the quantum sampling-based training approach achieves comparable or better accuracy with significantly fewer iterations of generative training than conventional CD-based training. Further investigation is needed to determine whether similar improvements can be achieved for other data sets, and to what extent these improvements can be attributed to quantum effects.